Template:MassBank/Matrix
From Metabolomics.JP
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| − | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; | + | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(F?[2-9]?)(I?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; |
| − | FORMULA_CHAR = " | + | FORMULA_CHAR = "CHFINOPSl0-9"; |
| − | ATOM = {"C", "H", "Cl", "N", "O", "P", "S"}; | + | ATOM = {"C", "H", "Cl", "F", "I", "N", "O", "P", "S"}; |
| − | MASS = {12, 1, 35, 14, 16, 31, 32}; | + | MASS = {12, 1, 35, 19, 127, 14, 16, 31, 32}; |
function toFormula(t) | function toFormula(t) | ||
Revision as of 01:00, 23 May 2009
Ojimatrix
No "ION INFO" line in the form &&(formula)&&(formula)&&...&&
| MassBank/Matrix | 64 CHClONSP |
| 64 CHClONSP |
|
Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| CHClNOPS |
